Sugi Predict

Sugi Predict / Compounds / SCHEMBL16050951

SCHEMBL16050951

SCHEMBL16050951

COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCCN(CC(=O)N4CC(O)C4)CC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 1.00
▸ CDK9 P50750 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16041516 0.97 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16050679 0.92 CCNT1 (1.00) CCNT1CDK9
SCHEMBL17535017 0.92 CCNT1 (1.00) CCNT1CDK9
SCHEMBL17535229 0.91 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16041410 0.91 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16052031 0.90 CCNT1 (0.87) CCNT1CDK9
SCHEMBL16040780 0.90 CCNT1 (1.00) CCNT1CDK9
SCHEMBL16052786 0.89 CCNT1 (0.93) CCNT1CDK9
SCHEMBL16052179 0.89 CDK9 (1.00) CCNT1CDK9
SCHEMBL17535145 0.88 CCNT1 (1.00) CCNT1CDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP claimed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — WO claimed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — WO disclosed
Send feedback